AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for POU domain, class 3, transcription factor 3

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher activity, selectivity, and safety.

We pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated by our associate Reaxense.

Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.

We utilise our cutting-edge, exclusive workflow to develop focused libraries.

 Fig. 1. The sreening workflow of Receptor.AI

Our methodology leverages molecular simulations to examine a vast array of proteins, capturing their dynamics in both isolated forms and in complexes with other proteins. Through ensemble virtual screening, we thoroughly account for the protein's conformational mobility, identifying critical binding sites within functional regions and distant allosteric locations. This detailed exploration ensures that we comprehensively assess every possible mechanism of action, with the objective of identifying novel therapeutic targets and lead compounds that span a wide spectrum of biological functions.

Several key aspects differentiate our library:

  • Receptor.AI compiles an all-encompassing dataset on the target protein, including historical experiments, literature data, known ligands, and structural insights, maximising the chances of prioritising the most pertinent compounds.
  • The platform employs state-of-the-art molecular simulations to identify potential binding sites, ensuring the focused library is primed for discovering allosteric inhibitors and binders of concealed pockets.
  • Over 50 customisable AI models, thoroughly evaluated in various drug discovery endeavours and research projects, make Receptor.AI both efficient and accurate. This technology is integral to the development of our focused libraries.
  • In addition to generating focused libraries, Receptor.AI offers a full range of services and solutions for every step of preclinical drug discovery, with a pricing model based on success, thereby reducing risk and promoting joint project success.

partner

Reaxense

upacc

P20264

UPID:

PO3F3_HUMAN

Alternative names:

Brain-specific homeobox/POU domain protein 1; Octamer-binding protein 8; Octamer-binding transcription factor 8

Alternative UPACC:

P20264; P78379; Q4ZG25

Background:

POU domain, class 3, transcription factor 3 (POU3F3), also known as Brain-specific homeobox/POU domain protein 1, Octamer-binding protein 8, and Octamer-binding transcription factor 8, plays a pivotal role in neuronal development. It acts synergistically with SOX11 and SOX4, and is implicated in enhancer activity at the embryonic met-mesencephalic junction, recognizing the octamer motif.

Therapeutic significance:

POU3F3 is linked to Snijders Blok-Fisher syndrome, a neurodevelopmental disorder with symptoms including developmental delay, hypotonia, and intellectual disability. Understanding the role of POU3F3 could open doors to potential therapeutic strategies for this syndrome.

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